{"method": "X-RAY DIFFRACTION", "mutation_s_field": "No", "ec_number": "", "description": "They develop potent and selective TTR kinetic stabilizers that rescue cells from the cytotoxic effects of TTR amyloidogenesis using stilbene and dihydrostilbene analogues. Six analogues were definitively categorized as kinetic stabilizers by evaluating dissociation time-courses.", "ligstr": "IW4:A:C14 H12 Br2 N2:368.07:4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline:c1cc(cc(c1)N)/C=C/c2cc(c(c(c2)Br)N)Br:InChI=1S/C14H12Br2N2/c15-12-7-10(8-13(16)14(12)18)5-4-9-2-1-3-11(17)6-9/h1-8H,17-18H2/b5-4+:KYCYQIDURIMUDR-SNAWJCMRSA-N;IW4:B:C14 H12 Br2 N2:368.07:4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline:c1cc(cc(c1)N)/C=C/c2cc(c(c(c2)Br)N)Br:InChI=1S/C14H12Br2N2/c15-12-7-10(8-13(16)14(12)18)5-4-9-2-1-3-11(17)6-9/h1-8H,17-18H2/b5-4+:KYCYQIDURIMUDR-SNAWJCMRSA-N", "pmid": "20043671", "remarks": "Transthyretin in complex with (E)-4-(3-aminostyryl)-2,6-dibromoaniline", "amyloid_non_amyloid": "Non-amyloid", "type": "Inhibitor complex", "inchi": "InChI=1S/C14H12Br2N2/c15-12-7-10(8-13(16)14(12)18)5-4-9-2-1-3-11(17)6-9/h1-8H,17-18H2/b5-4+%%InChI=1S/C14H12Br2N2/c15-12-7-10(8-13(16)14(12)18)5-4-9-2-1-3-11(17)6-9/h1-8H,17-18H2/b5-4+", "resolution": "1.4", "species": "Homo sapiens", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECCSCEEEEEEECTTSCEEEEEEEECCCCCEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECCSCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECTTSCSEEEEEEEEETTEEEEEEEEECCCC", "chain_id": "A%%B", "gene_names": "TTR, PALB", "r_value_free": "0.191", "pdb_id": "3IMU", "reference": "J Am Chem Soc. 2010 Feb 3;132(4):1359-70.", "keyword": "Transthyretin", "protein_name": "Transthyretin", "ligand_formula": "C14 H12 Br2 N2%%C14 H12 Br2 N2", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE", "entry": "S-0255", "length": "127", "uniprot_ac": "P02766", "author": "Choi, S., Reixach, N., Connelly, S., Johnson, S.M., Wilson, I.A., Kelly, J.W.", "ligand_smiles": "c1cc(cc(c1)N)/C=C/c2cc(c(c(c2)Br)N)Br%%c1cc(cc(c1)N)/C=C/c2cc(c(c(c2)Br)N)Br", "ligand_mw": "368.07%%368.07", "alternative_name": "ATTR, Prealbumin, TBPA", "ligand_name": "4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline%%4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline", "pdb_classification": "HORMONE", "global_stoichiometry": "Homo 4-mer - A4 ", "inchi_key": "KYCYQIDURIMUDR-SNAWJCMRSA-N%%KYCYQIDURIMUDR-SNAWJCMRSA-N", "ligand_id": "IW4%%IW4"}